1,3-benzothiazol-2-ylazanium; 9,10-bis(oxidanylidene)anthracene-1-sulfonate

Systemtic Name: 1,3-benzothiazol-2-ylazanium; 9,10-bis(oxidanylidene)anthracene-1-sulfonate Openeye Name: 1,3-benzothiazol-2-ylammonium; 9,10-dioxoanthracene-1-sulfonate CAS Name: 1,3-benzothiazol-2-ylammonium; 9,10-dioxo-1-anthracenesulfonate IUPAC Name: 1,3-benzothiazol-2-ylazanium; 9,10-dioxoanthracene-1-sulfonate Traditional Name: 1,3-benzothiazol-2-ylammonium; 9,10-diketoanthracene-1-sulfonate Formula: C21H14N2O5S2 MolecularWeight: 438.47626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)N=C(S2)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].C1=CC=C2C(=C1)N=C(S2)[NH3+]

InChI

InChI=1S/C14H8O5S.C7H6N2S/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;8-7-9-5-3-1-2-4-6(5)10-7/h1-7H,(H,17,18,19);1-4H,(H2,8,9)